Chemical ID: 3847284

CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C#N)COc3ccc(cc3)Cl
Chemical ID:
3847284
Name [?]:
2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5-dimethyl-2-thienyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C#N)COc3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20ClN5O2S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.9856
Area:711.203
Solvation:-4.79451
Coulombic:-43.1292
Bond Count [?]
All:32
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:461.99
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.75
LogP (Chemaxon):3.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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